N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine

C12H23NO — CID 163516266

IUPACN-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
SMILESC=C(C)C(C)N(CC)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h11-12H,2,5-9H2,1,3-4H3
InChIKeyDHADITIBLZNNTE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.45
Rot. Bonds4

About N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine

N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine (PubChem CID 163516266) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
PubChem CID163516266
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine
SMILESC=C(C)C(C)N(CC)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h11-12H,2,5-9H2,1,3-4H3
InChIKeyDHADITIBLZNNTE-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridine
CID 3306153
N-propan-2-yl-N-prop-2-enyloxan-4-amine
CID 21034309
N-(2-methylprop-2-enyl)-N-propan-2-yloxan-4-amine
CID 21034321
1-(Oxan-4-yl)-2-prop-1-en-2-ylpyrrolidine
CID 91359624
N-but-2-enyl-N-methyloxan-4-amine
CID 123376411
N-(2-methylpropyl)-N-[(Z)-pent-2-enyl]oxan-4-amine
CID 130331342
N-(2-methylpropyl)-N-pent-4-en-2-yloxan-4-amine
CID 135172010
N-but-3-en-2-yl-N-ethyloxan-4-amine
CID 135183299
N-(2,3-dimethylbut-2-enyl)-N-methyloxan-4-amine
CID 139353040
5-[3-(dimethylamino)-4-methylpent-4-enoxy]-N,N,2-trimethylpent-1-en-3-amine
CID 139697211
N-[(3S)-hex-5-en-3-yl]-N-(2-methylpropyl)oxan-4-amine
CID 173766431
N-(2-methylidenebutyl)oxan-4-amine
CID 66044496

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine?
The IUPAC name of N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine (CID 163516266) is N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine is C=C(C)C(C)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine?
The InChIKey is DHADITIBLZNNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h11-12H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine?
N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbut-3-en-2-yl)oxan-4-amine is sourced from PubChem (CID 163516266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).